(2S,3R,4R,5S)-2,4-diethanoyl-3-(furan-2-yl)-5-methyl-5-oxidanyl-cyclohexan-1-one

Systemtic Name: (2S,3R,4R,5S)-2,4-diethanoyl-3-(furan-2-yl)-5-methyl-5-oxidanyl-cyclohexan-1-one Openeye Name: (2S,3R,4R,5S)-2,4-diacetyl-3-(2-furyl)-5-hydroxy-5-methyl-cyclohexanone CAS Name: (2S,3R,4R,5S)-2,4-diacetyl-3-(2-furanyl)-5-hydroxy-5-methyl-1-cyclohexanone IUPAC Name: (2S,3R,4R,5S)-2,4-diacetyl-3-(furan-2-yl)-5-hydroxy-5-methylcyclohexan-1-one Traditional Name: (2S,3R,4R,5S)-2,4-diacetyl-3-(2-furyl)-5-hydroxy-5-methyl-cyclohexanone Formula: C15H18O5 MolecularWeight: 278.30042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=CO2

Isomeric SMILES

CC(=O)[C@@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)C)C2=CC=CO2

InChI

InChI=1S/C15H18O5/c1-8(16)12-10(18)7-15(3,19)14(9(2)17)13(12)11-5-4-6-20-11/h4-6,12-14,19H,7H2,1-3H3/t12-,13-,14+,15-/m0/s1